SCHEMBL7596980

SCHEMBL7596980

Clc1ccc(OC2CCN(CCNc3ccnc(NC4CC4)n3)CC2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.47
ACHE P22303 11/20 0.46
BACE1 P56817 8/20 0.46
CCR3 P51677 5/20 0.45
KCNH2 Q12809 2/20 0.40
KDM4E B2RXH2 1/20 0.40
FPR2 P25090 1/20 0.39
PROKR1 Q8TCW9 1/20 0.39
MAPK10 P53779 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7601251 0.94 HRH1 (0.54) HRH1ACHEBACE1CCR3KCNH2
SCHEMBL6394743 0.88 CCR3 (0.47) HRH1CCR3KCNH2KDM4EFPR2
SCHEMBL7596643 0.83 HRH1 (0.48) HRH1CCR3KCNH2KDM4EFPR2
SCHEMBL6402826 0.83 HRH1 (0.49) HRH1CCR3KCNH2KDM4EFPR2
SCHEMBL6398460 0.83 CCR3 (0.54) HRH1CCR3KCNH2KDM4E
SCHEMBL6397083 0.83 HRH1 (0.53) HRH1CCR3KCNH2KDM4EFPR2
SCHEMBL6396292 0.83 HRH1 (0.53) HRH1CCR3KCNH2KDM4EFPR2
SCHEMBL6396116 0.81 HRH1 (0.47) HRH1CCR3KCNH2KDM4EFPR2
SCHEMBL6396396 0.79 CCR3 (0.46) HRH1CCR3KCNH2KDM4EFPR2
SCHEMBL6402106 0.79 CCR3 (0.47) HRH1CCR3KCNH2KDM4EFPR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002540204-A 2002-11-26 JP claimed
EP-1165545-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-01-02 EP claimed
WO-2000058305-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-10-05 WO claimed